Chem
J-GLOBAL ID:200907069472008013   Nikkaji number:J1.879.496I

(2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-Butyldiphenylsiloxy)-3,3-(oxymethylene)-18,21-bis(benzyloxy)-19-methyl-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane

(2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-ブチルジフェニルシロキシ)-3,3-(オキシメチレン)-18,21-ビス(ベンジルオキシ)-19-メチル-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C53H66O9Si
Molecular formula furigana: C53-H66-O9-SI
Molecular weight: 875.187
InChI: InChI=1S/C53H66O9Si/c1-51(2,3)63(39-21-13-7-14-22-39,40-23-15-8-16-24-40)57-35-50-53(36-56-53)26-25-41-42(61-50)29-44-43(58-41)30-45-46(59-44)31-48-47(60-45)32-49(55-34-38-19-11-6-12-20-38)52(4,62-48)27-28-54-33-37-17-9-5-10-18-37/h5-24,41-50H,25-36H2,1-4H3/t41-,42+,43+,44-,45-,46+,47+,48-,49-,50-,52+,53?/m0/s1
InChI key: QOVPBNBJBMESGS-YGWYPLDYSA-N
SMILES: CC(C)(C)[Si](OC[C@@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@](C)(CCOCc6ccccc6)[C@H](C[C@H]5O[C@H]4C[C@H]3O[C@H]2CCC21CO2)OCc1ccccc1)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • (2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-ブチルジフェニルシロキシ)-3,3-(オキシメチレン)-18,21-ビス(ベンジルオキシ)-19-メチル-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン
  • {[(1'S,3'R,5'S,7'R,8'S,10'R,12'S,14'R,16'S,20'S,22'R)-8'-(ベンジルオキシ)-7'-[2-(ベンジルオキシ)エチル]-7'-メチル-2',6',11',15',21'-ペンタオキサスピロ[オキシラン-2,19'-ペンタシクロ[12.9.0.03,12.05,10.016,22]トリコサン]-20'-イル]メトキシ}(tert-ブチル)ジフェニルシラン
  • {[(1'S,3'R,5'S,7'R,8'S,10'R,12'S,14'R,16'S,20'S,22'R)-8'-(benzyloxy)-7'-[2-(benzyloxy)ethyl]-7'-methyl-2',6',11',15',21'-pentaoxaspiro[oxirane-2,19'-pentacyclo[12.9.0.03,12.05,10.016,22]tricosan]-20'-yl]methoxy}(tert-butyl)diphenylsilane
Other name (1):
  • (2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-Butyldiphenylsiloxy)-3,3-(oxymethylene)-18,21-bis(benzyloxy)-19-methyl-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane
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